N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide

C30H29FN2O3 — CID 135186599

IUPACN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H29FN2O3/c1-35-28-11-7-24(8-12-28)20-30(34)33(21-25-13-16-32-17-14-25)22-26-3-2-4-29(19-26)36-18-15-23-5-9-27(31)10-6-23/h2-14,16-17,19H,15,18,20-22H2,1H3
InChIKeyWLSXINVPTHYSNM-UHFFFAOYSA-N
MW484.57 g/mol
LogP5.62
Rot. Bonds11

About N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 135186599) has the molecular formula C30H29FN2O3 and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID135186599
Molecular FormulaC30H29FN2O3
Molecular Weight484.57 g/mol
Exact Mass484.22
IUPAC NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H29FN2O3/c1-35-28-11-7-24(8-12-28)20-30(34)33(21-25-13-16-32-17-14-25)22-26-3-2-4-29(19-26)36-18-15-23-5-9-27(31)10-6-23/h2-14,16-17,19H,15,18,20-22H2,1H3
InChIKeyWLSXINVPTHYSNM-UHFFFAOYSA-N
XLogP5.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide (CID 135186599) is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide is COc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is WLSXINVPTHYSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O3/c1-35-28-11-7-24(8-12-28)20-30(34)33(21-25-13-16-32-17-14-25)22-26-3-2-4-29(19-26)36-18-15-23-5-9-27(31)10-6-23/h2-14,16-17,19H,15,18,20-22H2,1H3.
What are the key properties of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide?
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 484.57 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 135186599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).